>compound Palatinose_Palatinose
#instrument UPLC Q-Tof Premier, Waters
>formula C12H22O11
#smiles OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O2)[C@@H](O)[C@H](O)C(O)(CO)2)1
#RECORD LC-ESI-QTOF_train_data/PR100934.txt;LC-ESI-QTOF_train_data/PR100471.txt
>charge -1
>ionization [M-H]-
>parentmass 341.10841

>collision 5-60
59.015 34.44
71.0148 76.15
73.0305 7.811
83.0141 5.934
85.0298 9.218
89.0237 55.37
101.0234 92.56
113.0233 27.65
119.0333 25.02
131.0331 8.209
143.0345 11.05
161.0447 19.85
179.0539 78.6
221.0646 54.02
341.1084 5.247

>collision 5-60
85.0284 7.603
97.0279 6.244
99.5072 8.255
127.0355 5.063
178.9655 13.75
192.9773 33.54
206.941 3.404
210.9899 3.915
236.8958 4.84
250.9116 11.01
274.9148 3.496
276.9304 22.96
278.9421 18.87
280.9548 6.926
296.9911 12.66
343.0038 3.751

